Vitas-M small molecule compound
(4Z)-4-(2-bromo-4-ethoxy-5-methoxybenzylidene)-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK958828
SMILES CCOc1cc(Br)c(cc1OC)/C=C\1/C(=NN(C1=O)c1cccc(c1)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H21BrN2O3 MW 429.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O3/c1-5-27-20-12-18(22)15(11-19(20)26-4)10-17-14(3)23-24(21(17)25)16-8-6-7-13(2)9-16/h6-12H,5H2,1-4H3/b17-10-InChIKey
NEUYHKKFDLISDR-YVLHZVERSA-NSynonyms
692263-23-3(4Z)4((2BROMO4ETHOXY5METHOXYPHENYL)METHYLIDENE)5METHYL2(3METHYLPHENYL)PYRAZOL3ONE
(4Z)4(2bromo4ethoxy5methoxybenzylidene)5methyl2(3methylphenyl)24dihydro3Hpyrazol3one
692263233
CCOC1=C(C=C(C(=C1)Br)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C)C)OC
CCOc1cc(Br)c(cc1OC)C=C1C(=NN(C1=O)c1cccc(c1)C)C
InChI=1SC21H21BrN2O3c1527201218(22)15(1119(20)264)101714(3)2324(21(17)25)1686713(2)916h612H5H214H3b1710
MFCD02371719
ZINC000001125793
ZINC01125793
ZINC1125793
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